7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C57H33N5O2 — CID 134223421

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223421) has the molecular formula C57H33N5O2 and a molecular weight of 819.92 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223421
• Molecular Formula: C57H33N5O2
• Molecular Weight: 819.92 g/mol
• Exact Mass: 819.26
• IUPAC Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccc(-c4ccc6c(c4)c4cc7c(cc4n6-c4ccccc4)oc4ccccc47)cc35)n2)cc1
• InChI: InChI=1S/C57H33N5O2/c1-4-14-34(15-5-1)55-58-56(35-16-6-2-7-17-35)60-57(59-55)62-47-22-12-10-20-39(47)42-30-46-44-29-37(25-27-52(44)64-54(46)33-50(42)62)36-24-26-48-41(28-36)43-31-45-40-21-11-13-23-51(40)63-53(45)32-49(43)61(48)38-18-8-3-9-19-38/h1-33H
• InChIKey: XOSHUWBVXQBELF-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.92
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223421) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccc(-c4ccc6c(c4)c4cc7c(cc4n6-c4ccccc4)oc4ccccc47)cc35)n2)cc1.

What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

The InChIKey is XOSHUWBVXQBELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2/c1-4-14-34(15-5-1)55-58-56(35-16-6-2-7-17-35)60-57(59-55)62-47-22-12-10-20-39(47)42-30-46-44-29-37(25-27-52(44)64-54(46)33-50(42)62)36-24-26-48-41(28-36)43-31-45-40-21-11-13-23-51(40)63-53(45)32-49(43)61(48)38-18-8-3-9-19-38/h1-33H.

What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 819.92 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).